@zincwarecode

We are an open-source scientific software organisation specialising in computational physics and chemistry.

Joined April 2021
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  • Followers18
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Towards a phenomenological understanding of neural networks: data doi.org/10.1088/2632-2153/ac… via @MLSTjournal

Towards a phenomenological understanding of neural networks: data

Towards a phenomenological understanding of neural networks: data, Tovey, Samuel, Krippendorf, Sven, Nikolaou, Konstantin, Holm, Christian

iopscience.iop.org
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zincwarecode retweeted
Fabian Zills@PythonFZ24 Aug 2023
Recording of my ZnTrack presentation in the DVC Community Spotlight! youtube.com/watch?v=7ZgBydEP… #dvc #zntrack #zincware
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Mmm...somehow Mario did a successful photo bomb of our #deRSE23 group photo. 🤣
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We just published a paper about our MDSuite package. Our first paper for zincware software. doi.org/10.1186/s13321-023-0…

MDSuite: comprehensive post-processing tool for particle simulations

Journal of Cheminformatics - Particle-Based (PB) simulations, including Molecular Dynamics (MD), provide access to system observables that are not easily available experimentally. However, in most...

link.springer.com
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zincwarecode retweeted
Fabian Zills@PythonFZ29 Nov 2022
We just released github.com/zincware/ZnInit v0.1.3 which now includes type checking at runtime and replaces flake8 with ruff for pyproject.yaml support. #zincware

GitHub - zincware/ZnInit

Contribute to zincware/ZnInit development by creating an account on GitHub.

github.com
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zincwarecode retweeted
Fabian Zills@PythonFZ2 Nov 2022
You want to add CLI arguments with the argparse library but still like to have a dataclass like container class. github.com/zincware/aaargs is a super light package do to excactly that (pip install aaargs) @zincwarecode #python

GitHub - zincware/aaargs: attribute autocompletion and argument parsing

attribute autocompletion and argument parsing. Contribute to zincware/aaargs development by creating an account on GitHub.

github.com
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zincwarecode retweeted
Fabian Zills@PythonFZ25 Oct 2022
The new version of #ZnTrack brings better error messages and support for metadata. Make your workflow reproducible with github.com/zincware/ZnTrack and @DVCorg. Used at @spp2363 and @SimTechStuttga2

GitHub - zincware/ZnTrack: Create, visualize, run & benchmark DVC pipelines in Python & Jupyter...

Create, visualize, run & benchmark DVC pipelines in Python & Jupyter notebooks. - zincware/ZnTrack

github.com
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Released ZnTrack v0.4.1 with minor fixes and new features. Also, ZnTrack can now be cited doi.org/10.5281/zenodo.64728…

zincware/ZnTrack: ZnTrack 0.4.1

What's Changed fix type hints by @PythonFZ in https://github.com/zincware/ZnTrack/pull/260 Fix getdeps issue by @PythonFZ in https://github.com/zincware/ZnTrack/pull/262 Prohibit Node from changing...

zenodo.org
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We've just released v0.1.2 of ZnJSON. En/Decode Python objects to JSON. github.com/zincware/ZnJSON

GitHub - zincware/ZnJSON: Package to Encode/Decode some common file formats to json

Package to Encode/Decode some common file formats to json - zincware/ZnJSON

github.com
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zincwarecode retweeted
🦉DVC@DVCorg4 Mar 2022
🦉Join us at our next Office Hours Meetup where Community member @PythonFZ will show us how to create, run and benchmark DVC Pipelines in Python with his ZNTrack! RSVP and more info 👉🏽 meetup.com/Machine-Learning-…
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We have just published our improved v0.3 release of ZnTrack github.com/zincware/ZnTrack using @DVCorg directly from within #Python

GitHub - zincware/ZnTrack: Create, visualize, run & benchmark DVC pipelines in Python & Jupyter...

Create, visualize, run & benchmark DVC pipelines in Python & Jupyter notebooks. - zincware/ZnTrack

github.com
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Our last preprint by Jonas, David, and Christian on pH-dependent swelling of weak polyelectrolyte hydrogels doi.org/10.26434/chemrxiv-20… #polymer #polyelectrolyte @CharlesUniPRG @Uni_Stuttgart @ChemRxiv #osmosis

The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolu...

The swelling of polyelectrolyte hydrogels has been often explained using simple models derived from the Flory-Rehner model. While these models qualitatively predict the experimentally observed...

chemrxiv.org
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A brand new package from zincwarecodes, py-track, is now available on PyPi or from source at: github.com/zincware/py-track Get it on Github or simply use: pip install py-track

GitHub - zincware/ZnTrack: Create, visualize, run & benchmark DVC pipelines in Python & Jupyter...

Create, visualize, run & benchmark DVC pipelines in Python & Jupyter notebooks. - zincware/ZnTrack

github.com
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